4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methylpyridin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one

Systemtic Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methylpyridin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Openeye Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methyl-2-pyridylidene)-2-methylsulfanyl-thiazol-3-ium-4-one CAS Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methyl-2-pyridinylidene)-2-(methylthio)-4-thiazol-3-iumone IUPAC Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methylpyridin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Traditional Name: (5Z)-3-methyl-5-(1-methyl-2-pyridylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=CC=CC1=C2C(=O)[N+](=C(S2)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C=CC=C/C1=C/2\C(=O)[N+](=C(S2)SC)C

InChI

InChI=1S/C11H13N2OS2.C7H8O3S/c1-12-7-5-4-6-8(12)9-10(14)13(2)11(15-3)16-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b9-8-;